2-methylbutyl 2-[2-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazinyl]-4,5-diisocyano-benzenesulfinate

Systemtic Name: 2-methylbutyl 2-[2-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazinyl]-4,5-diisocyano-benzenesulfinate Openeye Name: 2-methylbutyl 2-[2-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazino]-4,5-diisocyano-benzenesulfinate CAS Name: 2-[[[3-(2,4-dimethylphenoxy)propylamino]-oxomethyl]hydrazo]-4,5-diisocyanobenzenesulfinic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-[2-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazinyl]-4,5-diisocyanobenzenesulfinate Traditional Name: 2-[N'-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazino]-4,5-diisocyano-benzenesulfinic acid 2-methylbutyl ester Formula: C25H31N5O4S MolecularWeight: 497.60974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COS(=O)C1=C(C=C(C(=C1)[N+]#[C-])[N+]#[C-])NNC(=O)NCCCOC2=C(C=C(C=C2)C)C

Isomeric SMILES

CCC(C)COS(=O)C1=C(C=C(C(=C1)[N+]#[C-])[N+]#[C-])NNC(=O)NCCCOC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C25H31N5O4S/c1-7-17(2)16-34-35(32)24-15-21(27-6)20(26-5)14-22(24)29-30-25(31)28-11-8-12-33-23-10-9-18(3)13-19(23)4/h9-10,13-15,17,29H,7-8,11-12,16H2,1-4H3,(H2,28,30,31)